tert-butyl N-[1-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propan-2-yl]carbamate

C23H31N3O3 — CID 123173626

IUPACtert-butyl N-[1-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propan-2-yl]carbamate
SMILESCC(CNCC(O)Cn1c2ccccc2c2ccccc21)NC(=O)OC(C)(C)C
InChIInChI=1S/C23H31N3O3/c1-16(25-22(28)29-23(2,3)4)13-24-14-17(27)15-26-20-11-7-5-9-18(20)19-10-6-8-12-21(19)26/h5-12,16-17,24,27H,13-15H2,1-4H3,(H,25,28)
InChIKeyJLZFDOQEDKTRDH-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.66
Rot. Bonds7

About tert-butyl N-[1-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propan-2-yl]carbamate

tert-butyl N-[1-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propan-2-yl]carbamate (PubChem CID 123173626) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is tert-butyl N-[1-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propan-2-yl]carbamate
PubChem CID123173626
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Nametert-butyl N-[1-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propan-2-yl]carbamate
SMILESCC(CNCC(O)Cn1c2ccccc2c2ccccc21)NC(=O)OC(C)(C)C
InChIInChI=1S/C23H31N3O3/c1-16(25-22(28)29-23(2,3)4)13-24-14-17(27)15-26-20-11-7-5-9-18(20)19-10-6-8-12-21(19)26/h5-12,16-17,24,27H,13-15H2,1-4H3,(H,25,28)
InChIKeyJLZFDOQEDKTRDH-UHFFFAOYSA-N
XLogP3.66
TPSA75.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]amino]-2-methylpropylidene]carbamate
CID 149336404
tert-butyl N-[1-[(1-methylbenzimidazol-2-yl)methylamino]propan-2-yl]carbamate
CID 107247403
tert-butyl N-[1-[3-(3,6-difluorocarbazol-9-yl)propylamino]propan-2-yl]carbamate
CID 144944403
3-[(3-carbazol-9-yl-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol
CID 154741332
tert-butyl N-[(2R)-1-(ethylamino)propan-2-yl]carbamate
CID 71301755
tert-butyl N-[(2R)-1-(1-carbamoylindol-3-yl)propan-2-yl]carbamate
CID 56984917
(2R)-1-carbazol-9-yl-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 7411148
tert-butyl N-(1-benzamidopropan-2-yl)carbamate
CID 177434930
tert-butyl N-[1-(4-phenylbutan-2-ylamino)propan-2-yl]carbamate
CID 107247631
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-dimethylazanium
CID 6577414
tert-butyl N-[1-(thiophen-2-ylamino)propan-2-yl]carbamate
CID 90458389
1-carbazol-9-yl-3-[3-(dimethylamino)propylamino]propan-2-ol;oxalic acid
CID 16807164

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propan-2-yl]carbamate (CID 123173626) is tert-butyl N-[1-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propan-2-yl]carbamate is CC(CNCC(O)Cn1c2ccccc2c2ccccc21)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propan-2-yl]carbamate?
The InChIKey is JLZFDOQEDKTRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-16(25-22(28)29-23(2,3)4)13-24-14-17(27)15-26-20-11-7-5-9-18(20)19-10-6-8-12-21(19)26/h5-12,16-17,24,27H,13-15H2,1-4H3,(H,25,28).
What are the key properties of tert-butyl N-[1-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propan-2-yl]carbamate?
tert-butyl N-[1-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propan-2-yl]carbamate has a molecular weight of 397.52 g/mol, XLogP of 3.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(3-carbazol-9-yl-2-hydroxypropyl)amino]propan-2-yl]carbamate is sourced from PubChem (CID 123173626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).